CID 14984516

Ethyl 4,4,5,5,6,6,7,7,7-nonafluoroheptanoate

Structural Information

Molecular Formula
C9H9F9O2
SMILES
CCOC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F9O2/c1-2-20-5(19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3
InChIKey
MSMPYUBTQHQODZ-UHFFFAOYSA-N
Compound name
ethyl 4,4,5,5,6,6,7,7,7-nonafluoroheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.04587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05315 189.1
[M+Na]+ 343.03509 189.6
[M+NH4]+ 338.07969 188.1
[M+K]+ 359.00903 186.9
[M-H]- 319.03859 180.5
[M+Na-2H]- 341.02054 185.4
[M]+ 320.04532 186.3
[M]- 320.04642 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe